CID 54277191

Rac-tert-butyl n-[(1r,2s)-2-ethenylcyclopropyl]carbamate

Structural Information

Molecular Formula
C10H17NO2
SMILES
CC(C)(C)OC(=O)N[C@@H]1C[C@H]1C=C
InChI
InChI=1S/C10H17NO2/c1-5-7-6-8(7)11-9(12)13-10(2,3)4/h5,7-8H,1,6H2,2-4H3,(H,11,12)/t7-,8-/m1/s1
InChIKey
ROFOIYIUNVJFOE-HTQZYQBOSA-N
Compound name
tert-butyl N-[(1R,2S)-2-ethenylcyclopropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

183.12593 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.13321 141.5
[M+Na]+ 206.11515 150.0
[M-H]- 182.11865 146.3
[M+NH4]+ 201.15975 156.9
[M+K]+ 222.08909 147.6
[M+H-H2O]+ 166.12319 136.2
[M+HCOO]- 228.12413 163.7
[M+CH3COO]- 242.13978 188.0
[M+Na-2H]- 204.10060 146.2
[M]+ 183.12538 145.3
[M]- 183.12648 145.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe